N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide

C18H26N2O4 — CID 110128022

IUPACN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)c1
InChIInChI=1S/C18H26N2O4/c1-23-14-5-2-4-13(12-14)18(22)19-15-6-3-7-16(17(15)21)20-8-10-24-11-9-20/h2,4-5,12,15-17,21H,3,6-11H2,1H3,(H,19,22)/t15-,16-,17-/m1/s1
InChIKeyFWBQQPQRBZCIDQ-BRWVUGGUSA-N
MW334.42 g/mol
LogP1.04
Rot. Bonds4

About N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide (PubChem CID 110128022) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide
PubChem CID110128022
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)c1
InChIInChI=1S/C18H26N2O4/c1-23-14-5-2-4-13(12-14)18(22)19-15-6-3-7-16(17(15)21)20-8-10-24-11-9-20/h2,4-5,12,15-17,21H,3,6-11H2,1H3,(H,19,22)/t15-,16-,17-/m1/s1
InChIKeyFWBQQPQRBZCIDQ-BRWVUGGUSA-N
XLogP1.04
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide
CID 110128257
N-(2-bromocyclopentyl)-3-methoxybenzamide
CID 80662437
N-(2-tert-butylcyclohexyl)-3-methoxybenzamide
CID 17146888
3-bromo-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]benzamide
CID 110166075
N-[(1R,2S,3R,4R)-3-hydroxy-4-phenoxy-2-piperidin-1-ylcyclopentyl]-3-methoxybenzamide
CID 110153321
N-cyclopropyl-3-methoxybenzamide
CID 900156
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
3-methoxy-N-(morpholine-4-carbothioyl)benzamide
CID 5372118
N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide
CID 110279269
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide
CID 110127912
3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 119070601
2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]acetamide
CID 110128085

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide (CID 110128022) is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide is COc1cccc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)c1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide?
The InChIKey is FWBQQPQRBZCIDQ-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-23-14-5-2-4-13(12-14)18(22)19-15-6-3-7-16(17(15)21)20-8-10-24-11-9-20/h2,4-5,12,15-17,21H,3,6-11H2,1H3,(H,19,22)/t15-,16-,17-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide?
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide has a molecular weight of 334.42 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide is sourced from PubChem (CID 110128022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).